N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C110H155N27O7 — CID 158613100

About N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 158613100) has the molecular formula C110H155N27O7 and a molecular weight of 1967.63 g/mol. Its IUPAC name is N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 158613100
• Molecular Formula: C110H155N27O7
• Molecular Weight: 1967.63 g/mol
• Exact Mass: 1966.26
• IUPAC Name: N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(OC(C)CCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCC2CCN(CC3CC3)CC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCCN(Cc2ccccc2)C(=O)CN2CCN(C)CC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1=O
• InChI: InChI=1S/C29H43N7O2.C23H37N5O.C20H27N5O.C19H23N5O2.C19H25N5O/c1-4-5-18-38-29-31-27(30)25-19-23(2)20-36(28(25)32-29)13-9-12-35(21-24-10-7-6-8-11-24)26(37)22-34-16-14-33(3)15-17-34;1-3-4-13-29-23-25-21(24)20-14-17(2)15-28(22(20)26-23)12-9-18-7-10-27(11-8-18)16-19-5-6-19;1-5-6-15(4)26-20-23-18(21)17-9-13(2)11-25(19(17)24-20)12-16-8-7-14(3)22-10-16;1-4-5-8-26-19-22-16(20)15-9-12(2)18(25)24(17(15)23-19)11-14-7-6-13(3)21-10-14;1-4-5-8-25-19-22-17(20)16-9-13(2)11-24(18(16)23-19)12-15-7-6-14(3)21-10-15/h6-8,10-11H,2,4-5,9,12-22H2,1,3H3,(H2,30,31,32);18-19H,2-16H2,1H3,(H2,24,25,26);7-8,10,15H,2,5-6,9,11-12H2,1,3-4H3,(H2,21,23,24);6-7,10H,2,4-5,8-9,11H2,1,3H3,(H2,20,22,23);6-7,10H,2,4-5,8-9,11-12H2,1,3H3,(H2,20,22,23)
• InChIKey: HXBOOCFSLQRTLA-UHFFFAOYSA-N
• XLogP: 15.59
• TPSA: 407.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 39
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1967.63
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 158613100) is N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(OC(C)CCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCC2CCN(CC3CC3)CC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCCN(Cc2ccccc2)C(=O)CN2CCN(C)CC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1=O.

What is the InChIKey of N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is HXBOOCFSLQRTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N7O2.C23H37N5O.C20H27N5O.C19H23N5O2.C19H25N5O/c1-4-5-18-38-29-31-27(30)25-19-23(2)20-36(28(25)32-29)13-9-12-35(21-24-10-7-6-8-11-24)26(37)22-34-16-14-33(3)15-17-34;1-3-4-13-29-23-25-21(24)20-14-17(2)15-28(22(20)26-23)12-9-18-7-10-27(11-8-18)16-19-5-6-19;1-5-6-15(4)26-20-23-18(21)17-9-13(2)11-25(19(17)24-20)12-16-8-7-14(3)22-10-16;1-4-5-8-26-19-22-16(20)15-9-12(2)18(25)24(17(15)23-19)11-14-7-6-13(3)21-10-14;1-4-5-8-25-19-22-17(20)16-9-13(2)11-24(18(16)23-19)12-15-7-6-14(3)21-10-15/h6-8,10-11H,2,4-5,9,12-22H2,1,3H3,(H2,30,31,32);18-19H,2-16H2,1H3,(H2,24,25,26);7-8,10,15H,2,5-6,9,11-12H2,1,3-4H3,(H2,21,23,24);6-7,10H,2,4-5,8-9,11H2,1,3H3,(H2,20,22,23);6-7,10H,2,4-5,8-9,11-12H2,1,3H3,(H2,20,22,23).

What are the key properties of N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 1967.63 g/mol, XLogP of 15.59, 39 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158613100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).